N-[2-oxidanylidene-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-oxo-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-oxo-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[(2-pyrrolidinopyridin-1-ium-4-yl)methylamino]ethyl]-piperonylamide Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O4/c25-19(12-23-20(26)15-3-4-16-17(10-15)28-13-27-16)22-11-14-5-6-21-18(9-14)24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11-13H2,(H,22,25)(H,23,26)/p+1